We do not have code for constant pressure simulation in EON yet. Fortunately, given that you have a free surface, you would not expect pressure to play a significant role in the structure of the material.
I would suggest starting my running MD of your adsorbed molecule. If the molecule does not ...
Search found 2 matches
- Sun Apr 10, 2016 6:16 am
- Forum: eOn
- Topic: pressure setting
- Replies: 2
- Views: 70685
- Fri Apr 08, 2016 3:04 am
- Forum: eOn
- Topic: pressure setting
- Replies: 2
- Views: 70685
pressure setting
Dear，
I am a junior researcher major in geology, and I want to do some research on the diffusion of gas admolecules on the mineral surface. When I am trying to performance some simulations with eOn by following the AKMC tutorial, I found there is no parameter to set the pressure of the system ...
I am a junior researcher major in geology, and I want to do some research on the diffusion of gas admolecules on the mineral surface. When I am trying to performance some simulations with eOn by following the AKMC tutorial, I found there is no parameter to set the pressure of the system ...